POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8TRP A  86
GLY A 122
SER A 203
TRP A 236
PHE A 338
TYR A 341
None
0.54A8.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		1ijt FIBROBLAST GROWTH
FACTOR 4
(Homo
sapiens)		4 / 8GLY A 105
GLN A  97
PHE A 202
TYR A  87
None
1.15A14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		1mza PRO-GRANZYME K
(Homo
sapiens)		4 / 8GLY A  43
THR A  54
TRP A 141
TYR A  35
None
0.97A17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		1n3y INTEGRIN ALPHA-X
(Homo
sapiens)		4 / 8GLY A 139
GLN A 173
SER A 142
PHE A 300
None
0.92A18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN
(Homo
sapiens)		4 / 8GLY A2475
GLN A2476
THR A2448
PHE A2310
None
1.14A11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		2gtp REGULATOR OF
G-PROTEIN SIGNALING
1
(Homo
sapiens)		4 / 8GLY C  82
GLN C  83
PHE C 177
TYR C 174
None
0.80A19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		2gy7 ANGIOPOIETIN-2
(Homo
sapiens)		4 / 8TRP A 339
GLY A 443
GLN A 336
PHE A 346
None
0.91A17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		2n52 SERINE PROTEASE
INHIBITOR KAZAL-TYPE
6
(Homo
sapiens)		4 / 8GLY A  47
GLN A  11
PHE A  38
TYR A  32
None
1.04A19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		2psy KALLIKREIN-5
(Homo
sapiens)		4 / 8TRP A  51
GLY A  85
GLN A  84
SER A  88
None
1.11A15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		4nen INTEGRIN ALPHA-X
(Homo
sapiens)		4 / 8GLY A 352
GLN A 334
SER A 357
PHE A 371
None
None
NAG  A1105 (-3.2A)
NAG  A1105 (-4.7A)
0.93A6.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens)		4 / 8GLY A 432
GLN A 308
THR A 300
SER A 366
None
1.16A7.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens)		4 / 8TRP A 324
GLY A 344
THR A 328
PHE A 285
None
1.00A8.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		4xii CHOLINESTERASE
(Homo
sapiens)		5 / 8GLY A 116
THR A 120
SER A 198
PHE A 329
TYR A 332
40V  A1001 (-3.2A)
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
1.19A98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		4xii CHOLINESTERASE
(Homo
sapiens)		8 / 8TRP A  82
GLY A 117
GLN A 119
THR A 120
SER A 198
TRP A 231
PHE A 329
TYR A 332
40V  A1001 (-3.3A)
40V  A1001 (-3.4A)
None
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
0.40A98.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		5eqi SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 1
(Homo
sapiens)		4 / 8TRP A 388
GLY A 138
SER A  80
PHE A  26
5RH  A 501 (-3.1A)
None
5RH  A 501 (-2.7A)
None
1.04A9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		5v8m ANTIBODY 3BNC117,
HEAVY CHAIN
(Homo
sapiens)		4 / 8GLY H  44
GLN H  43
PHE H  91
TYR H  90
None
1.08A15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
(Homo
sapiens)		4 / 8GLY A 229
TRP A 241
PHE A 216
TYR A 219
None
1.05A13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		6c9m N-ALPHA-ACETYLTRANSF
ERASE 10
(Homo
sapiens)		4 / 8GLN B  88
SER B  95
PHE B 128
TYR B 122
None
1.15A15.85